NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5733 8.2993 120.0963 56.2425 34.4636 175.3289 3 T 4.8539 7.9482 109.2858 59.0913 72.1079 172.1192 4 F 4.8347 10.3787 128.5325 56.8148 41.9355 175.2512 5 I 4.8175 8.0149 126.9059 59.7233 39.4944 174.5927 6 I 4.9993 9.1786 127.6371 59.4359 40.7011 174.5749 7 G 3.8752 9.4925 113.9410 44.3313 0.0000 172.3428 8 I 5.1297 8.7053 124.8901 59.7802 40.5347 174.2592 9 S 5.6507 9.5311 121.8229 54.8399 66.1871 172.3565 10 G 3.6925 8.4838 108.9139 42.7958 0.0000 172.7336 11 V 3.7168 7.5573 120.7912 61.2778 30.3655 175.9006 12 T 3.8938 8.3385 114.3745 63.5836 67.5657 173.4368 13 N 4.4968 8.7492 123.0062 54.4295 36.1294 175.5535 14 S 4.2862 7.4320 113.8707 58.8587 63.9110 174.4756 15 G 4.0937 8.4926 110.1551 45.6534 0.0000 175.7220 16 K 3.8925 8.4989 121.0387 59.6482 32.0539 179.0434 17 T 3.8790 7.8959 115.2135 67.1953 68.5618 176.5684 18 T 3.8537 7.8934 116.9354 66.5424 68.4615 176.3013 19 L 4.0109 8.1096 122.0885 57.8220 42.0470 178.7208 20 A 4.0308 8.0593 120.7826 55.2354 18.3528 179.7477 21 K 3.8903 8.1460 116.8924 59.5685 31.7694 179.2468 22 N 4.0027 7.9202 116.1279 56.3091 38.5040 177.3570 23 L 4.3549 8.0755 120.1455 58.0772 41.5375 178.9152 24 Q 3.9919 8.1162 118.2785 59.6399 28.9560 178.4430 25 K 3.9239 7.7584 118.3104 59.5668 32.3178 178.0428 26 H 4.7421 7.6826 111.9982 54.6562 29.6006 174.6469 27 L 4.8679 7.5279 121.8687 52.3972 43.2528 174.3173 28 P 4.5563 0.0000 0.0000 63.0475 33.1460 175.2805 29 N 4.1444 8.7386 117.9764 55.3963 37.1031 173.0820 30 C 5.4475 8.0866 116.7349 57.9808 34.0736 173.6364 31 S 5.0421 9.6584 122.2847 56.8825 66.1708 173.2231 32 V 4.9012 8.2041 120.0831 61.3544 34.5263 174.4268 33 I 4.6205 8.9228 128.4221 59.7130 40.3836 174.4589 34 S 5.3949 8.6169 123.1375 56.1987 64.1677 175.3601 35 Q 4.2393 9.3860 126.4180 58.5659 29.0493 177.4253 36 D 4.8292 8.1492 115.9303 56.6280 41.2153 176.6906 37 D 4.5694 8.0002 117.2980 55.3804 41.1324 176.6866 38 F 4.8161 7.8248 118.7529 57.0121 39.6628 174.9941 39 F 4.8765 8.2513 118.7681 57.1061 39.5714 175.9957 40 K 4.4701 9.1630 122.6891 55.4582 32.9111 175.1787 41 P 4.4436 0.0000 0.0000 62.9043 32.0012 176.7723 42 E 4.0335 9.0220 120.9437 59.3838 29.6276 178.6725 43 S 4.3507 8.0523 110.9870 59.7895 63.3839 174.2325 44 E 4.4193 7.9046 119.6627 56.9543 30.2737 176.3822 45 I 4.0295 7.1599 119.4580 61.0595 37.5847 175.1923 46 E 4.9279 8.5896 122.7281 54.7340 33.4478 174.8500 47 T 5.0245 8.2510 111.9972 59.7687 70.9440 174.0591 48 D 4.6801 8.7242 126.3100 52.4597 40.5453 176.8360 49 K 3.8037 8.8422 117.9150 60.1861 31.8048 177.7124 50 N 4.5113 8.3043 112.5603 52.7128 38.6735 175.2644 51 G 3.7398 7.9990 105.2449 47.0985 0.0000 175.2505 52 F 5.2746 8.2411 117.1282 55.0829 41.3466 175.7807 53 L 4.4886 8.9608 126.4141 55.3349 41.7214 178.4650 54 Q 4.3665 9.6640 124.7815 55.6272 26.7810 174.7357 55 Y 4.6582 8.3583 116.7216 59.1191 39.4403 176.1172 56 D 5.3781 8.3796 118.9732 54.8814 41.6738 176.0927 57 V 4.5647 7.7616 110.4630 59.2265 36.0020 176.7957 58 L 3.8846 8.6297 122.2912 58.1075 41.5805 179.3333 59 E 4.1011 8.2308 115.8287 58.2099 29.6980 177.0618 60 A 4.5798 8.3378 121.6883 51.8034 19.2856 176.4474 61 L 5.1891 7.5613 115.6552 53.0690 44.7736 176.1791 62 N 4.6866 9.0036 119.7941 52.4306 39.7070 176.1990 *64 E 4.3152 8.4744 117.7868 56.2623 32.1591 177.0260 65 K 4.2470 7.3351 120.4803 55.4754 30.5900 177.0425 *68 S 4.3291 7.8425 115.7487 58.0761 64.7102 175.5189 69 A 4.1638 7.9139 121.9324 55.1006 17.7622 179.6744 70 I 3.8400 7.5892 117.3636 64.4872 37.3767 178.2493 71 S 4.3262 7.9037 114.9510 61.7452 63.1025 176.0117 72 C 4.3978 8.2237 119.5983 62.3143 27.8394 175.6887 73 W 4.0201 7.9254 126.4050 58.5273 29.6378 177.0174 *75 E 4.2140 8.1092 117.7095 56.0491 30.8194 177.8374 76 S 4.2173 7.7546 112.2934 60.0021 63.6558 175.3076 77 A 3.6916 7.5234 124.6790 54.8590 18.0896 179.5646 78 R 4.2841 7.1029 109.5098 57.4866 29.3667 176.4388 79 H 4.8483 7.8097 115.2295 55.3781 30.0087 173.1676 *92 I 3.9868 7.8275 118.5901 60.1226 38.9302 173.2404 93 P 4.8098 0.0000 0.0000 62.9301 32.5487 175.2006 94 I 5.2945 9.6152 125.1283 59.4701 40.8806 174.2195 95 L 4.6329 8.8279 127.9711 53.1746 44.7780 174.8435 96 I 4.8173 8.7261 127.8883 59.8942 39.4501 174.7369 97 I 4.9413 8.9933 129.0657 59.7396 38.9966 174.3492 98 E 5.0784 8.7653 126.1502 54.4355 32.3872 175.5197 99 G 4.3916 7.9814 107.5933 46.1139 0.0000 174.1790 100 F 4.8277 9.5338 116.5235 57.5151 38.5098 176.0307 101 L 3.3983 7.3809 122.9296 52.8719 42.4325 173.9205 102 L 4.6604 8.6539 121.4226 56.0842 43.9395 178.8848 103 F 5.3033 8.1684 112.9806 58.2032 38.3402 175.4610 104 N 5.0416 8.5921 115.8068 52.5055 38.5379 173.6015 105 Y 4.5515 8.2349 121.8568 56.0128 38.6856 175.6350 106 K 4.0225 8.6346 127.8513 59.2215 32.3067 177.5780 107 P 4.0527 0.0000 0.0000 65.4224 31.3803 177.4465 108 L 3.7332 7.7419 116.9772 56.3816 42.0305 178.4944 109 D 3.5459 7.7151 118.6557 57.2387 40.7363 177.6441 110 T 4.2448 7.3435 105.9629 61.3587 69.0007 174.9568 111 I 4.0782 7.0243 124.1960 62.3328 39.3185 176.7408 112 W 4.5907 7.2021 118.5615 57.8058 29.2320 175.1868 113 N 4.6642 8.7792 119.2528 54.1077 40.1401 175.5566 114 R 4.5063 7.5336 117.9386 54.9565 33.9694 173.8543 115 S 4.9315 8.3202 121.3716 56.7897 66.3190 172.4733 116 Y 5.1284 9.4943 121.4376 56.1091 41.9379 174.4543 117 F 5.0901 9.0096 124.7665 56.3901 42.4259 173.5426 118 L 4.8323 8.2488 127.2673 54.5947 42.4837 176.6679 119 T 4.9272 9.1402 120.4525 61.8225 71.6432 173.0219 120 I 5.0253 8.3778 124.8472 58.4916 41.5357 173.1898 121 P 4.6680 0.0000 0.0000 62.3409 32.4365 176.6687 122 Y 3.1431 8.9200 121.3909 61.0231 38.4989 178.7955 123 E 3.6095 8.0587 118.6558 59.0246 29.5357 178.8062 124 E 3.7922 7.9255 118.8695 59.4510 29.8015 178.1754 125 C 4.0109 8.0314 118.7435 62.3938 31.3662 175.4711 126 K 2.4800 7.0623 120.0482 58.6861 31.8792 178.6028 127 R 3.7927 7.3966 118.4846 59.4009 30.1026 178.4709 128 R 3.8370 8.0580 118.0338 59.4299 30.1139 178.8493 129 R 4.1489 8.0360 118.6594 59.5180 29.8055 177.9277 130 S 4.4856 7.5999 110.8411 59.4591 63.2731 174.4829 131 T 4.3636 7.5212 111.9719 61.3111 69.0897 174.0935 132 R 4.3024 7.6715 122.3186 54.5233 32.1287 174.8895 133 V 4.0199 8.1101 125.1506 61.7817 31.4787 175.0407 134 Y 4.1417 8.4159 125.3041 56.9740 39.1120 175.1100 135 Q 4.2209 8.0695 120.9978 53.6069 30.6995 172.6544 136 P 4.4229 0.0000 0.0000 61.7773 32.0644 174.4994 137 P 4.4702 0.0000 0.0000 62.0406 31.8866 176.3829 138 D 3.9645 8.5280 122.0649 54.3620 41.2866 176.9516 139 S 4.4345 8.1282 118.9661 56.8438 64.1461 171.4062 140 P 4.5593 0.0000 0.0000 63.8032 31.3545 176.9366 141 G 4.1108 9.2016 110.7096 46.9651 0.0000 174.6523 142 Y 3.8184 8.1700 122.9691 60.0720 38.5485 177.7826 143 F 3.9833 8.2594 121.1789 61.5973 39.4690 176.8274 144 D 4.2796 8.2630 116.6266 56.9456 40.8270 178.3620 145 G 3.6253 7.9117 105.3797 46.3904 0.0000 173.4841 146 H 4.3445 7.4147 117.5856 57.5841 31.8895 174.4783 147 V 3.7743 7.1248 116.1991 65.0934 31.7611 176.8931 148 W 4.1403 8.4382 129.9236 60.0445 30.8046 177.0800 149 P 4.1209 0.0000 0.0000 63.4223 30.8143 177.3215 *151 Y 4.6931 8.0293 121.2093 57.6870 40.5164 177.1698 152 L 3.4720 7.3778 119.3940 57.3056 41.4866 179.4404 153 K 3.9174 7.7407 119.3756 59.2469 31.8474 178.4335 154 Y 4.1495 7.5809 118.7980 60.6726 38.9674 177.0539 155 R 3.4926 7.5140 118.1401 59.2399 30.1842 178.4428 156 Q 3.9602 7.4125 117.4777 58.8289 29.7903 179.0898 157 E 4.1702 7.6587 120.0030 56.1398 27.9559 177.8127 *159 Q 4.1872 7.9156 117.4992 55.7937 31.1622 176.9298 160 D 4.4237 8.0752 116.3221 56.2070 41.3913 176.7286 161 I 3.0771 7.1018 118.2848 61.3574 37.1921 175.2671 162 T 4.1693 8.3902 115.1369 62.5226 69.7861 174.8787 163 W 4.5863 7.8265 118.1796 55.0464 30.2790 174.0933 164 E 4.2489 8.7698 119.2195 54.8618 29.6889 174.9635 165 V 4.0432 7.8534 126.3161 60.9268 33.6042 174.9179 166 V 4.0406 8.1050 128.7012 62.1360 32.3026 174.4549 167 Y 4.9029 8.8122 126.5049 57.7871 38.7502 175.1314 168 L 4.9082 9.4936 123.7315 52.9643 45.7304 175.5117 169 D 4.9175 8.7414 122.2991 53.1149 41.3902 177.1326 170 G 3.8676 9.2637 116.6442 47.3861 0.0000 173.4353 171 T 4.1040 7.8951 109.4250 63.4218 69.3207 175.1952 172 K 4.1202 7.5986 121.2984 55.8753 32.8906 176.7782 173 S 4.2652 8.3727 113.4434 58.5741 63.9967 174.3609 174 E 3.9779 8.6826 127.4709 59.2808 29.4973 178.9121 175 E 4.1870 8.1367 117.0987 59.1444 30.0086 178.5440 176 D 4.3799 8.0112 119.6501 57.1669 41.0422 178.4831 177 L 4.0277 8.0151 119.6134 57.5371 41.6468 179.1006 178 F 4.2119 8.0223 120.7494 61.4684 39.2436 177.2390 179 L 3.7017 8.1342 118.6059 57.6940 40.8687 179.2532 180 Q 3.9192 8.0626 119.5868 59.0797 28.8589 178.5924 181 V 3.4783 7.5808 118.9463 65.8483 31.7289 177.2081 182 Y 4.0760 8.0800 119.6912 60.7719 38.3798 178.1638 183 E 3.8135 8.3401 119.4420 59.5510 29.4456 178.6682 184 D 4.3599 7.4728 115.5108 57.6132 41.3069 178.2007 185 L 4.1967 8.3821 119.1377 56.8961 41.6116 178.7080 186 I 3.9533 7.0276 118.2474 62.3091 37.4351 176.5275 187 Q 4.4196 7.7410 117.8494 56.0030 29.5296 176.3501 188 E 4.5693 7.7459 119.5388 57.6152 33.0550 177.6657 189 L 3.9778 7.5407 117.3711 56.2880 42.1338 178.9983 190 A 3.9661 7.9143 121.6411 54.9244 18.3189 178.0135 191 K 4.4748 7.4758 112.7049 56.9215 32.3057 177.1093 192 Q 4.2667 7.6613 124.2729 56.1214 29.0322 175.5803 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.30 4.57 0.00 1.67 1.94 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.47 7.81 3 T 7.95 4.85 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 4 F 10.38 4.83 0.00 3.13 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.01 4.82 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 0.92 0.00 0.00 6 I 9.18 5.00 2.03 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.07 1.24 0.00 0.00 7 G 9.49 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.71 5.13 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.37 0.92 0.00 0.00 9 S 9.53 5.65 0.00 2.88 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.48 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.56 3.72 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.65 0.00 0.00 12 T 8.34 3.89 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 13 N 8.75 4.50 0.00 2.92 2.89 0.00 0.00 6.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.43 4.29 0.00 4.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.49 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.50 3.89 0.00 1.86 1.96 0.00 1.83 0.00 0.00 1.83 0.00 0.00 3.30 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.47 1.50 7.81 17 T 7.90 3.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 18 T 7.89 3.85 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 19 L 8.11 4.01 0.00 1.88 1.80 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.06 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.15 3.89 0.00 1.75 1.83 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.61 7.81 22 N 7.92 4.00 0.00 2.86 2.05 0.00 0.00 7.05 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.08 4.35 0.00 1.96 1.89 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.12 3.99 0.00 2.13 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 25 K 7.76 3.92 0.00 1.66 1.64 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.41 1.75 7.81 26 H 7.68 4.74 0.00 3.06 3.32 0.00 5.83 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.53 4.87 0.00 1.87 1.72 1.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.56 0.00 2.23 2.10 0.00 4.02 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 29 N 8.74 4.14 0.00 3.03 3.06 0.00 0.00 6.60 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.09 5.45 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 9.66 5.04 0.00 3.80 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.20 4.90 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.04 0.00 0.00 33 I 8.92 4.62 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.69 1.06 0.00 0.00 34 S 8.62 5.39 0.00 4.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 9.39 4.24 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 36 D 8.15 4.83 0.00 2.88 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.00 4.57 0.00 2.44 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 7.82 4.82 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.25 4.88 0.00 3.04 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 9.16 4.47 0.00 1.67 1.80 0.00 1.85 0.00 0.00 1.97 0.00 0.00 3.13 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.73 1.51 7.81 41 P 0.00 4.44 0.00 2.15 2.24 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 42 E 9.02 4.03 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 43 S 8.05 4.35 0.00 4.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.90 4.42 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 45 I 7.16 4.03 1.65 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 -0.18 0.36 0.00 0.00 46 E 8.59 4.93 0.00 1.88 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 47 T 8.25 5.02 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 48 D 8.72 4.68 0.00 3.04 2.99 0.00 0.00 0.00 0.00 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7.84 4.33 0.00 3.94 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.91 4.16 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.59 3.84 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.46 0.85 0.00 0.00 71 S 7.90 4.33 0.00 4.06 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 C 8.22 4.40 0.00 3.26 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 7.93 4.02 0.00 3.42 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *75 E 8.11 4.21 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.64 0.00 76 S 7.75 4.22 0.00 3.97 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.52 3.69 0.41 0.00 0.00 0.00 0.00 0.00 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0.00 139 S 8.13 4.43 0.00 4.09 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 P 0.00 4.56 0.00 2.15 2.11 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 141 G 9.20 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 8.17 3.82 0.00 3.38 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.26 3.98 0.00 3.18 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.26 4.28 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 7.91 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 H 7.41 4.34 0.00 2.12 2.10 0.00 5.97 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 V 7.12 3.77 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.73 0.00 0.00 148 W 8.44 4.14 0.00 2.72 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.12 0.00 2.12 2.02 0.00 3.55 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 *151 Y 8.03 4.69 0.00 2.91 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.38 3.47 0.00 1.68 1.49 0.96 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.74 3.92 0.00 1.87 1.76 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.42 7.81 154 Y 7.58 4.15 0.00 2.80 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 7.51 3.49 0.00 1.52 1.64 0.00 2.98 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.35 0.00 156 Q 7.41 3.96 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.63 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 157 E 7.66 4.17 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 *159 Q 7.92 4.19 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.10 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 160 D 8.08 4.42 0.00 2.62 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 I 7.10 3.08 1.35 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.04 -0.46 0.00 0.00 162 T 8.39 4.17 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 163 W 7.83 4.59 0.00 3.35 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 E 8.77 4.25 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 165 V 7.85 4.04 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 0.02 0.00 0.00 166 V 8.11 4.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.82 0.00 0.00 167 Y 8.81 4.90 0.00 2.99 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 L 9.49 4.91 0.00 1.63 1.61 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 169 D 8.74 4.92 0.00 2.80 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 G 9.26 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 T 7.90 4.10 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 172 K 7.60 4.12 0.00 2.03 1.86 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.43 7.81 173 S 8.37 4.27 0.00 3.90 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 E 8.68 3.98 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 175 E 8.14 4.19 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 176 D 8.01 4.38 0.00 2.97 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 L 8.02 4.03 0.00 1.92 1.74 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 178 F 8.02 4.21 0.00 2.98 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 8.13 3.70 0.00 1.91 1.67 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 180 Q 8.06 3.92 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 181 V 7.58 3.48 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.47 0.00 0.00 182 Y 8.08 4.08 0.00 2.27 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 E 8.34 3.81 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.61 0.00 184 D 7.47 4.36 0.00 2.92 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.38 4.20 0.00 2.00 1.63 1.23 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 186 I 7.03 3.95 1.74 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.75 0.76 0.00 0.00 187 Q 7.74 4.42 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 188 E 7.75 4.57 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 189 L 7.54 3.98 0.00 1.52 1.53 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 190 A 7.91 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 K 7.48 4.47 0.00 2.01 1.85 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.41 7.81 192 Q 7.66 4.27 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.